Information card for entry 1558768

Structure parameters

• Formula: C39 H55 B Cl F3 N2 P Rh
• Calculated formula: C39 H55 B Cl F3 N2 P Rh
• SMILES: [Rh]123(Cl)([P](C(C)C)(C(C)C)C(C)C)[N]4([B]1([C]2(=[C]34c1ccc(N(C)C)cc1)c1ccc(cc1)C(F)(F)F)c1c(cc(cc1C)C)C)C(C)(C)C
• Title of publication: Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes
• Authors of publication: Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 16.099 ± 0.007 Å
• b: 12.139 ± 0.003 Å
• c: 20.044 ± 0.006 Å
• α: 90°
• β: 96.049 ± 0.012°
• γ: 90°
• Cell volume: 3895 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No